Sodium 4-chlorophenoxyacetate

CAT: 0127-OR1014988-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1014988-01Size:25 g

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CAS Number

13730-98-8

MDL Number

MFCD01743486

Purity

98%

Smiles

O=C([O-])COC1=CC=C(Cl)C=C1.[Na+]

Chemical Information

Sodium p-chlorophenoxyacetate

CAS Number	13730-98-8
PubChem CID	23675789
IUPAC Name	sodium 2-(4-chlorophenoxy)acetate
Molecular Formula	C8H6ClNaO3
Molecular Weight	208.57
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	157

SMILES

C1=CC(=CC=C1OCC(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C8H7ClO3.Na/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1

InChIKey

CETFXLWWGIUWAI-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 13730-98-8

CID: 23675789

Formula: C8H6ClNaO3

MW: 208.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.57
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	207.9903160
Monoisotopic Mass	207.9903160
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1099531-01	Ethyl 2-methyl-4-chlorophenoxyacetate
OR1013256-01	Ethyl p-Chlorophenoxyacetate
OR1072679-01	Sodium 4-cyclohexylbenzenesulfinate
OR1036164-01	Sodium 4-propylbenzenesulfinate
OR1014985-01	Sodium 4-Acetamidobenzenesulfinate
OR80184-01	Sodium 4-chlorobenzenesulfinate
OR1014989-01	Sodium 4-Ethylbenzenesulfonate
OR1014990-01	Sodium 4-Ethynylbenzoate
PC8761-01	Sodium 4-fluorobenzoate
OR1039898-01	Sodium 4-chlorophenolate

Catalog	Name
TRC-S960048-2.5G	Sodium 4-Chlorophenoxyacetate
SC-NC-013	Sodium 4-chlorophenoxyacetate Rapid Test Kit
E-FS-C187-01	Sodium 4-chlorophenoxyacetate Lateral Flow Assay Kit
B1643-5000	Sodium 4-Aminosalicylate
A3829-100	sodium 4-pentynoate
FS70459-01	Sodium 4-chlorobenzoate
AAA51574-01	Sodium 4-aminobenzenesulfonate
HY-W004048-01	Sodium 4-methylbenzenesulfonate
T203197-01	4-Hydroxypentanoate sodium
HY-177663	SARSi-4 (sodium)